2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C20H16ClFN6 — CID 59085501

IUPAC2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESFc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)nc4c3CCNC4)c2c1
InChIInChI=1S/C20H16ClFN6/c21-15-4-2-1-3-12(15)18-24-17-10-23-8-7-13(17)19(25-18)26-20-14-9-11(22)5-6-16(14)27-28-20/h1-6,9,23H,7-8,10H2,(H2,24,25,26,27,28)
InChIKeyRFRHKGYKMUHZPS-UHFFFAOYSA-N
MW394.84 g/mol
LogP4.20
Rot. Bonds3

About 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 59085501) has the molecular formula C20H16ClFN6 and a molecular weight of 394.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID59085501
Molecular FormulaC20H16ClFN6
Molecular Weight394.84 g/mol
Exact Mass394.11
IUPAC Name2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESFc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)nc4c3CCNC4)c2c1
InChIInChI=1S/C20H16ClFN6/c21-15-4-2-1-3-12(15)18-24-17-10-23-8-7-13(17)19(25-18)26-20-14-9-11(22)5-6-16(14)27-28-20/h1-6,9,23H,7-8,10H2,(H2,24,25,26,27,28)
InChIKeyRFRHKGYKMUHZPS-UHFFFAOYSA-N
XLogP4.20
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 20626456
N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine
CID 10270349
N-[4-(2-chlorophenyl)-6-cyclohexyl-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine
CID 10224094
N-[5-[(Z)-2-aminoethenyl]-2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine
CID 142128261
2-(2-chlorophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 10202666
6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-(2-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 69374464
2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine
CID 59085496
2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine
CID 59212894
2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740085
2-(2-chlorophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 158464061
2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine
CID 64981421
N-(5-fluoro-1H-indazol-3-yl)-2-(2-phenylcyclopropyl)quinazolin-4-amine
CID 10272020

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 59085501) is 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)nc4c3CCNC4)c2c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is RFRHKGYKMUHZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN6/c21-15-4-2-1-3-12(15)18-24-17-10-23-8-7-13(17)19(25-18)26-20-14-9-11(22)5-6-16(14)27-28-20/h1-6,9,23H,7-8,10H2,(H2,24,25,26,27,28).
What are the key properties of 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 394.84 g/mol, XLogP of 4.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59085501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).